CID 20202537

4-amino-2,4-dimethylpentan-2-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(CC(C)(C)O)N
InChI
InChI=1S/C7H17NO/c1-6(2,8)5-7(3,4)9/h9H,5,8H2,1-4H3
InChIKey
PCBDFDDYHBJSHK-UHFFFAOYSA-N
Compound name
4-amino-2,4-dimethylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

131.13101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.1
[M+Na]+ 154.12023 137.5
[M-H]- 130.12373 129.8
[M+NH4]+ 149.16483 152.3
[M+K]+ 170.09417 137.0
[M+H-H2O]+ 114.12827 127.6
[M+HCOO]- 176.12921 150.5
[M+CH3COO]- 190.14486 174.4
[M+Na-2H]- 152.10568 137.6
[M]+ 131.13046 129.4
[M]- 131.13156 129.4
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