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

267
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 121.1
[M+Na]+ 124.073278 128.2
[M-H]- 100.076784 119.9
[M+NH4]+ 119.117883 143.3
[M+K]+ 140.047218 127.1
[M+H-H2O]+ 84.081320 117.4
[M+HCOO]- 146.082261 143.0
[M+CH3COO]- 160.097911 166.8
[M+Na-2H]- 122.058726 127.9
[M]+ 101.08351142 118.5
[M]- 101.08460858 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