CID 12693166

N-(1-aminopropan-2-yl)aniline

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(CN)NC1=CC=CC=C1
InChI
InChI=1S/C9H14N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3
InChIKey
CNZJSNWTEPRULC-UHFFFAOYSA-N
Compound name
2-N-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

150.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.7
[M+Na]+ 173.104908 138.2
[M-H]- 149.108414 135.7
[M+NH4]+ 168.149513 153.0
[M+K]+ 189.078848 136.3
[M+H-H2O]+ 133.112950 126.5
[M+HCOO]- 195.113891 157.7
[M+CH3COO]- 209.129541 181.2
[M+Na-2H]- 171.090356 139.2
[M]+ 150.11514142 129.5
[M]- 150.11623858 129.5
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