CID 77924

4251-01-8

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)NC1=CC=C(C=C1)NC(C)C
InChI
InChI=1S/C12H20N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10,13-14H,1-4H3
InChIKey
PWNBRRGFUVBTQG-UHFFFAOYSA-N
Compound name
1-N,4-N-di(propan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8948
Patents

192.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.8
[M+Na]+ 215.15186 151.6
[M-H]- 191.15536 150.2
[M+NH4]+ 210.19646 165.8
[M+K]+ 231.12580 149.9
[M+H-H2O]+ 175.15990 140.2
[M+HCOO]- 237.16084 170.3
[M+CH3COO]- 251.17649 193.0
[M+Na-2H]- 213.13731 150.6
[M]+ 192.16209 145.3
[M]- 192.16319 145.3
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