CID 31730

Wam4hf7bu4

Structural Information

Molecular Formula
C13H18ClN
SMILES
CC(CC1=CC=C(C=C1)Cl)NCC2CC2
InChI
InChI=1S/C13H18ClN/c1-10(15-9-12-2-3-12)8-11-4-6-13(14)7-5-11/h4-7,10,12,15H,2-3,8-9H2,1H3
InChIKey
IFPHKNRVEGIFBA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 148.0
[M+Na]+ 246.10200 162.2
[M+NH4]+ 241.14660 158.1
[M+K]+ 262.07594 155.6
[M-H]- 222.10550 159.3
[M+Na-2H]- 244.08745 158.6
[M]+ 223.11223 154.7
[M]- 223.11333 154.7
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

No patent data available for this compound.