CID 67611079

2-(1-aminocyclopropyl)aniline

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC1(C2=CC=CC=C2N)N
InChI
InChI=1S/C9H12N2/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,10-11H2
InChIKey
JYPHCLNBVNXPFR-UHFFFAOYSA-N
Compound name
2-(1-aminocyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 126.4
[M+Na]+ 171.08927 135.9
[M-H]- 147.09277 133.8
[M+NH4]+ 166.13387 144.0
[M+K]+ 187.06321 133.1
[M+H-H2O]+ 131.09731 121.2
[M+HCOO]- 193.09825 152.1
[M+CH3COO]- 207.11390 182.3
[M+Na-2H]- 169.07472 134.5
[M]+ 148.09950 125.2
[M]- 148.10060 125.2
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