CID 138221

4-isopropylbenzylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(C)C1=CC=C(C=C1)CN

InChI

InChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3

InChIKey

YQSHYGCCYVPRDI-UHFFFAOYSA-N

Compound name

(4-propan-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6701
Patents: 149.12045 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	150.12773	133.2
[M+Na]+	172.10967	140.0
[M-H]-	148.11317	136.5
[M+NH4]+	167.15427	154.2
[M+K]+	188.08361	138.0
[M+H-H2O]+	132.11771	127.6
[M+HCOO]-	194.11865	156.8
[M+CH3COO]-	208.13430	180.5
[M+Na-2H]-	170.09512	138.2
[M]+	149.11990	131.4
[M]-	149.12100	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe