CID 12622589

2-(aminomethyl)-3,3-dimethylbutan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(C)C(CN)CO
InChI
InChI=1S/C7H17NO/c1-7(2,3)6(4-8)5-9/h6,9H,4-5,8H2,1-3H3
InChIKey
BARCWXONXKELGZ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 132.2
[M+Na]+ 154.12023 138.0
[M-H]- 130.12373 130.7
[M+NH4]+ 149.16483 153.3
[M+K]+ 170.09417 137.6
[M+H-H2O]+ 114.12827 128.2
[M+HCOO]- 176.12921 152.2
[M+CH3COO]- 190.14486 174.1
[M+Na-2H]- 152.10568 136.6
[M]+ 131.13046 130.3
[M]- 131.13156 130.3
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