CID 244282

2-[(2,2-dimethylpropyl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(C)CNCCO
InChI
InChI=1S/C7H17NO/c1-7(2,3)6-8-4-5-9/h8-9H,4-6H2,1-3H3
InChIKey
MTPDACKXWMOHEB-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

126
Patents

131.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 131.6
[M+Na]+ 154.120228 137.6
[M-H]- 130.123734 130.5
[M+NH4]+ 149.164833 153.0
[M+K]+ 170.094168 137.0
[M+H-H2O]+ 114.128270 127.4
[M+HCOO]- 176.129211 153.2
[M+CH3COO]- 190.144861 173.9
[M+Na-2H]- 152.105676 138.4
[M]+ 131.13046142 131.3
[M]- 131.13155858 131.3
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