CID 2734079

112245-13-3

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)(C)[C@@H](CO)N
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
Compound name
(2S)-2-amino-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1895
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 127.6
[M+Na]+ 140.104582 133.8
[M-H]- 116.108088 126.3
[M+NH4]+ 135.149187 149.2
[M+K]+ 156.078522 133.6
[M+H-H2O]+ 100.112624 123.7
[M+HCOO]- 162.113565 147.9
[M+CH3COO]- 176.129215 171.0
[M+Na-2H]- 138.090030 132.5
[M]+ 117.11481542 125.3
[M]- 117.11591258 125.3
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