CID 43132724

1-n-(cyclopropylmethyl)benzene-1,3-diamine

Structural Information

Molecular Formula
C10H14N2
SMILES
C1CC1CNC2=CC=CC(=C2)N
InChI
InChI=1S/C10H14N2/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8,12H,4-5,7,11H2
InChIKey
LAWDPLXUOTYGMW-UHFFFAOYSA-N
Compound name
3-N-(cyclopropylmethyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 129.6
[M+Na]+ 185.10491 137.9
[M-H]- 161.10841 136.9
[M+NH4]+ 180.14951 145.0
[M+K]+ 201.07885 134.4
[M+H-H2O]+ 145.11295 123.1
[M+HCOO]- 207.11389 156.0
[M+CH3COO]- 221.12954 186.2
[M+Na-2H]- 183.09036 137.2
[M]+ 162.11514 129.2
[M]- 162.11624 129.2
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.