CID 9578421

Isonicotinic acid, 2-bornylidenehydrazide

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1(C2CCC1(/C(=N\NC(=O)C3=CC=NC=C3)/C2)C)C
InChI
InChI=1S/C16H21N3O/c1-15(2)12-4-7-16(15,3)13(10-12)18-19-14(20)11-5-8-17-9-6-11/h5-6,8-9,12H,4,7,10H2,1-3H3,(H,19,20)/b18-13-
InChIKey
DRRCYXTXGVMYGZ-AQTBWJFISA-N
Compound name
N-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.175736 162.2
[M+Na]+ 294.157678 169.4
[M-H]- 270.161184 168.6
[M+NH4]+ 289.202283 186.4
[M+K]+ 310.131618 166.0
[M+H-H2O]+ 254.165720 155.7
[M+HCOO]- 316.166661 184.8
[M+CH3COO]- 330.182311 204.2
[M+Na-2H]- 292.143126 166.4
[M]+ 271.16791142 161.8
[M]- 271.16900858 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.