CID 95405

4-amino-4-methylpentan-2-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(CC(C)(C)N)O
InChI
InChI=1S/C6H15NO/c1-5(8)4-6(2,3)7/h5,8H,4,7H2,1-3H3
InChIKey
GZTKJFBKAZBXIB-UHFFFAOYSA-N
Compound name
4-amino-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

117.115364 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 127.3
[M+Na]+ 140.104582 133.5
[M-H]- 116.108088 126.0
[M+NH4]+ 135.149187 148.9
[M+K]+ 156.078522 133.3
[M+H-H2O]+ 100.112624 123.5
[M+HCOO]- 162.113565 147.7
[M+CH3COO]- 176.129215 171.7
[M+Na-2H]- 138.090030 132.3
[M]+ 117.11481542 125.1
[M]- 117.11591258 125.1
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