CID 116188427

1600014-68-3

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1=C(C=CC(=C1)NC2(CC2)C)N
InChI
InChI=1S/C11H16N2/c1-8-7-9(3-4-10(8)12)13-11(2)5-6-11/h3-4,7,13H,5-6,12H2,1-2H3
InChIKey
MYHMZWOWZIKTKU-UHFFFAOYSA-N
Compound name
2-methyl-4-N-(1-methylcyclopropyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 134.7
[M+Na]+ 199.120568 144.2
[M-H]- 175.124074 142.6
[M+NH4]+ 194.165173 151.7
[M+K]+ 215.094508 141.3
[M+H-H2O]+ 159.128610 129.3
[M+HCOO]- 221.129551 160.3
[M+CH3COO]- 235.145201 189.8
[M+Na-2H]- 197.106016 142.0
[M]+ 176.13080142 135.5
[M]- 176.13189858 135.5
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.