CID 43132718

1-n-cyclopropylbenzene-1,3-diamine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC1NC2=CC=CC(=C2)N
InChI
InChI=1S/C9H12N2/c10-7-2-1-3-9(6-7)11-8-4-5-8/h1-3,6,8,11H,4-5,10H2
InChIKey
JULNWKHULIOPKL-UHFFFAOYSA-N
Compound name
3-N-cyclopropylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 125.5
[M+Na]+ 171.08927 134.2
[M-H]- 147.09277 132.9
[M+NH4]+ 166.13387 141.3
[M+K]+ 187.06321 130.8
[M+H-H2O]+ 131.09731 119.1
[M+HCOO]- 193.09825 152.1
[M+CH3COO]- 207.11390 183.3
[M+Na-2H]- 169.07472 133.6
[M]+ 148.09950 124.7
[M]- 148.10060 124.7
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