CID 5155531

(4-chlorophenyl)(cyclopropyl)methanamine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC1C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2
InChIKey
VOLXFYJGXYAYQP-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

181.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 132.1
[M+Na]+ 204.05505 141.3
[M-H]- 180.05855 139.0
[M+NH4]+ 199.09965 147.7
[M+K]+ 220.02899 136.7
[M+H-H2O]+ 164.06309 126.5
[M+HCOO]- 226.06403 152.0
[M+CH3COO]- 240.07968 186.0
[M+Na-2H]- 202.04050 137.6
[M]+ 181.06528 133.5
[M]- 181.06638 133.5
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

patents stripe