CID 10154017

2-amino-2-methylbutan-1-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CCC(C)(CO)N
InChI
InChI=1S/C5H13NO/c1-3-5(2,6)4-7/h7H,3-4,6H2,1-2H3
InChIKey
QHKGDMNPQAZMKD-UHFFFAOYSA-N
Compound name
2-amino-2-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1966
Patents

103.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.5
[M+Na]+ 126.08894 129.4
[M-H]- 102.09244 121.3
[M+NH4]+ 121.13354 144.7
[M+K]+ 142.06288 128.9
[M+H-H2O]+ 86.096980 118.8
[M+HCOO]- 148.09792 144.2
[M+CH3COO]- 162.11357 167.8
[M+Na-2H]- 124.07439 129.3
[M]+ 103.09917 120.6
[M]- 103.10027 120.6
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