CID 176041

Hydrazinecarboxaldehyde, 2-[4-(hexyloxy)phenyl]-

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCCCCCOC1=CC=C(C=C1)NNC=O
InChI
InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)15-14-11-16/h6-9,11,15H,2-5,10H2,1H3,(H,14,16)
InChIKey
YDDVYOZFHJAVBB-UHFFFAOYSA-N
Compound name
N-(4-hexoxyanilino)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

236.15248 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 154.3
[M+Na]+ 259.14170 159.3
[M-H]- 235.14520 157.2
[M+NH4]+ 254.18630 171.4
[M+K]+ 275.11564 156.7
[M+H-H2O]+ 219.14974 146.8
[M+HCOO]- 281.15068 180.2
[M+CH3COO]- 295.16633 197.6
[M+Na-2H]- 257.12715 160.2
[M]+ 236.15193 156.6
[M]- 236.15303 156.6
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

patents stripe