CID 4719970

N-[(4-chlorophenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC1NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2
InChIKey
RVXJABFVIDLTSI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

181.06583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 132.8
[M+Na]+ 204.055048 142.3
[M-H]- 180.058554 140.1
[M+NH4]+ 199.099653 148.6
[M+K]+ 220.028988 137.6
[M+H-H2O]+ 164.063090 126.9
[M+HCOO]- 226.064031 154.2
[M+CH3COO]- 240.079681 185.9
[M+Na-2H]- 202.040496 140.3
[M]+ 181.06528142 135.7
[M]- 181.06637858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe