CID 10464329

2-propanol, 1-(2-propenylamino)-

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(CNCC=C)O
InChI
InChI=1S/C6H13NO/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKey
ZYTBSLSYGOPWGB-UHFFFAOYSA-N
Compound name
1-(prop-2-enylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.9
[M+Na]+ 138.08894 131.8
[M-H]- 114.09244 124.8
[M+NH4]+ 133.13354 147.6
[M+K]+ 154.06288 131.0
[M+H-H2O]+ 98.096980 121.3
[M+HCOO]- 160.09792 148.6
[M+CH3COO]- 174.11357 171.2
[M+Na-2H]- 136.07439 131.3
[M]+ 115.09917 124.5
[M]- 115.10027 124.5
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