CID 12555225

1-amino-2-methylbut-3-en-2-ol

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(CN)(C=C)O
InChI
InChI=1S/C5H11NO/c1-3-5(2,7)4-6/h3,7H,1,4,6H2,2H3
InChIKey
HIZLKTYBQGWVMQ-UHFFFAOYSA-N
Compound name
1-amino-2-methylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 121.1
[M+Na]+ 124.07328 128.2
[M-H]- 100.07678 119.9
[M+NH4]+ 119.11788 143.3
[M+K]+ 140.04722 127.1
[M+H-H2O]+ 84.081320 117.4
[M+HCOO]- 146.08226 143.0
[M+CH3COO]- 160.09791 166.8
[M+Na-2H]- 122.05873 127.9
[M]+ 101.08351 118.5
[M]- 101.08461 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe