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]+ 177.13863 134.7
[M+Na]+ 199.12057 144.2
[M-H]- 175.12407 142.6
[M+NH4]+ 194.16517 151.7
[M+K]+ 215.09451 141.3
[M+H-H2O]+ 159.12861 129.3
[M+HCOO]- 221.12955 160.3
[M+CH3COO]- 235.14520 189.8
[M+Na-2H]- 197.10602 142.0
[M]+ 176.13080 135.5
[M]- 176.13190 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.