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
2
Annotation Hits

0
References

43
Patents

223.11278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.120056 145.0
[M+Na]+ 246.101998 153.8
[M-H]- 222.105504 152.2
[M+NH4]+ 241.146603 159.4
[M+K]+ 262.075938 148.7
[M+H-H2O]+ 206.110040 138.9
[M+HCOO]- 268.110981 164.4
[M+CH3COO]- 282.126631 196.3
[M+Na-2H]- 244.087446 149.2
[M]+ 223.11223142 148.8
[M]- 223.11332858 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