CID 12896476

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

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(CNCC1=CC=CC=C1)O
InChI
InChI=1S/C11H17NO/c1-11(2,13)9-12-8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3
InChIKey
HTYYZKBJEIKWKW-UHFFFAOYSA-N
Compound name
1-(benzylamino)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

179.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.0
[M+Na]+ 202.120228 146.7
[M-H]- 178.123734 143.0
[M+NH4]+ 197.164833 160.2
[M+K]+ 218.094168 144.3
[M+H-H2O]+ 162.128270 135.5
[M+HCOO]- 224.129211 163.1
[M+CH3COO]- 238.144861 181.9
[M+Na-2H]- 200.105676 148.6
[M]+ 179.13046142 140.0
[M]- 179.13155858 140.0
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