CID 962368

2-(benzylamino)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(CO)NCC1=CC=CC=C1
InChI
InChI=1S/C11H17NO/c1-11(2,9-13)12-8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChIKey
JIDHEIXSIHNMCG-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

179.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.4
[M+Na]+ 202.12023 152.3
[M+NH4]+ 197.16483 149.6
[M+K]+ 218.09417 146.2
[M-H]- 178.12373 143.3
[M+Na-2H]- 200.10568 148.2
[M]+ 179.13046 143.4
[M]- 179.13156 143.4
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