CID 66158544

N-(5-chloro-2-isopropylbenzyl)cyclopropanamine

Structural Information

Molecular Formula
C13H18ClN
SMILES
CC(C)C1=C(C=C(C=C1)Cl)CNC2CC2
InChI
InChI=1S/C13H18ClN/c1-9(2)13-6-3-11(14)7-10(13)8-15-12-4-5-12/h3,6-7,9,12,15H,4-5,8H2,1-2H3
InChIKey
NPQICEFTXKYSPD-UHFFFAOYSA-N
Compound name
N-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 145.0
[M+Na]+ 246.10200 153.8
[M-H]- 222.10550 152.2
[M+NH4]+ 241.14660 159.4
[M+K]+ 262.07594 148.7
[M+H-H2O]+ 206.11004 138.9
[M+HCOO]- 268.11098 164.4
[M+CH3COO]- 282.12663 196.3
[M+Na-2H]- 244.08745 149.2
[M]+ 223.11223 148.8
[M]- 223.11333 148.8
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