CID 56326

Alpha-(1-(methyl(2-propynyl)amino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C13H17NO
SMILES
CC(C(C1=CC=CC=C1)O)N(C)CC#C
InChI
InChI=1S/C13H17NO/c1-4-10-14(3)11(2)13(15)12-8-6-5-7-9-12/h1,5-9,11,13,15H,10H2,2-3H3
InChIKey
ALYVCRJVPZAKEO-UHFFFAOYSA-N
Compound name
2-[methyl(prop-2-ynyl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 151.3
[M+Na]+ 226.120228 158.3
[M-H]- 202.123734 152.8
[M+NH4]+ 221.164833 167.6
[M+K]+ 242.094168 155.1
[M+H-H2O]+ 186.128270 138.9
[M+HCOO]- 248.129211 167.1
[M+CH3COO]- 262.144861 198.3
[M+Na-2H]- 224.105676 152.9
[M]+ 203.13046142 145.3
[M]- 203.13155858 145.3
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.