CID 11332423

4-amino-3-methylbutan-1-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(CCO)CN
InChI
InChI=1S/C5H13NO/c1-5(4-6)2-3-7/h5,7H,2-4,6H2,1H3
InChIKey
QZSYAXJCRMECOT-UHFFFAOYSA-N
Compound name
4-amino-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

103.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 121.4
[M+Na]+ 126.08894 130.2
[M+NH4]+ 121.13354 129.2
[M+K]+ 142.06288 125.7
[M-H]- 102.09244 120.8
[M+Na-2H]- 124.07439 124.6
[M]+ 103.09917 122.1
[M]- 103.10027 122.1
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