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

72
Patents

181.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 132.1
[M+Na]+ 204.055048 141.3
[M-H]- 180.058554 139.0
[M+NH4]+ 199.099653 147.7
[M+K]+ 220.028988 136.7
[M+H-H2O]+ 164.063090 126.5
[M+HCOO]- 226.064031 152.0
[M+CH3COO]- 240.079681 186.0
[M+Na-2H]- 202.040496 137.6
[M]+ 181.06528142 133.5
[M]- 181.06637858 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