CID 55298685

(2s)-3,3-dimethyl-2-(methylamino)butan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(C)[C@@H](CO)NC
InChI
InChI=1S/C7H17NO/c1-7(2,3)6(5-9)8-4/h6,8-9H,5H2,1-4H3/t6-/m1/s1
InChIKey
QPEVEJCNPXGGBV-ZCFIWIBFSA-N
Compound name
(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

131.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.7
[M+Na]+ 154.12023 137.6
[M-H]- 130.12373 130.8
[M+NH4]+ 149.16483 153.1
[M+K]+ 170.09417 137.4
[M+H-H2O]+ 114.12827 127.7
[M+HCOO]- 176.12921 152.4
[M+CH3COO]- 190.14486 174.8
[M+Na-2H]- 152.10568 137.3
[M]+ 131.13046 130.8
[M]- 131.13156 130.8
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