CID 4723387

N-(4-isopropylbenzyl)cyclopropanamine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)C1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C13H19N/c1-10(2)12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKey
NIMZIHWYZATVSS-UHFFFAOYSA-N
Compound name
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.0
[M+Na]+ 212.14097 147.5
[M-H]- 188.14447 147.4
[M+NH4]+ 207.18557 154.8
[M+K]+ 228.11491 144.4
[M+H-H2O]+ 172.14901 133.2
[M+HCOO]- 234.14995 164.1
[M+CH3COO]- 248.16560 191.7
[M+Na-2H]- 210.12642 145.5
[M]+ 189.15120 141.6
[M]- 189.15230 141.6
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