CID 55284959

4-cyclopropylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC1C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C9H12N2/c10-8-4-3-7(5-9(8)11)6-1-2-6/h3-6H,1-2,10-11H2
InChIKey
GPQQONRBFSTDGZ-UHFFFAOYSA-N
Compound name
4-cyclopropylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

148.10005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 129.9
[M+Na]+ 171.08927 143.1
[M+NH4]+ 166.13387 139.8
[M+K]+ 187.06321 138.4
[M-H]- 147.09277 141.6
[M+Na-2H]- 169.07472 140.4
[M]+ 148.09950 136.1
[M]- 148.10060 136.1
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

patents stripe