CID 4120166

[1-(4-chlorophenyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC1(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey
VXHKUEKHNVGRTP-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
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 133.2
[M+Na]+ 204.05505 143.4
[M-H]- 180.05855 140.4
[M+NH4]+ 199.09965 150.7
[M+K]+ 220.02899 139.2
[M+H-H2O]+ 164.06309 128.4
[M+HCOO]- 226.06403 153.7
[M+CH3COO]- 240.07968 184.8
[M+Na-2H]- 202.04050 140.7
[M]+ 181.06528 135.5
[M]- 181.06638 135.5
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