CID 101690107

2-(1,2-diamino-1-propenyl)phenol

Structural Information

Molecular Formula
C9H12N2O
SMILES
C/C(=C(\C1=CC=CC=C1O)/N)/N
InChI
InChI=1S/C9H12N2O/c1-6(10)9(11)7-4-2-3-5-8(7)12/h2-5,12H,10-11H2,1H3/b9-6-
InChIKey
OULZGBBYEVBHQQ-TWGQIWQCSA-N
Compound name
2-[(Z)-1,2-diaminoprop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 136.5
[M+Na]+ 187.084178 142.5
[M-H]- 163.087684 138.0
[M+NH4]+ 182.128783 155.3
[M+K]+ 203.058118 139.9
[M+H-H2O]+ 147.092220 130.7
[M+HCOO]- 209.093161 158.7
[M+CH3COO]- 223.108811 180.8
[M+Na-2H]- 185.069626 139.3
[M]+ 164.09441142 130.7
[M]- 164.09550858 130.7
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.