CID 9574915

Schembl20143321

Structural Information

Molecular Formula
C10H19N3O
SMILES
CC(C)/C=N/NC(=O)C1CCNCC1
InChI
InChI=1S/C10H19N3O/c1-8(2)7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3,(H,13,14)/b12-7+
InChIKey
QMTNZGPFXHIQII-KPKJPENVSA-N
Compound name
N-[(E)-2-methylpropylideneamino]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

197.15282 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.160096 147.8
[M+Na]+ 220.142038 150.1
[M-H]- 196.145544 148.7
[M+NH4]+ 215.186643 164.6
[M+K]+ 236.115978 148.8
[M+H-H2O]+ 180.150080 140.3
[M+HCOO]- 242.151021 167.0
[M+CH3COO]- 256.166671 188.6
[M+Na-2H]- 218.127486 150.7
[M]+ 197.15227142 141.3
[M]- 197.15336858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe