CID 14792884

2-[(2-methylbut-3-yn-2-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)(C#C)NCCO
InChI
InChI=1S/C7H13NO/c1-4-7(2,3)8-5-6-9/h1,8-9H,5-6H2,2-3H3
InChIKey
VXJGQOYSBXKDRL-UHFFFAOYSA-N
Compound name
2-(2-methylbut-3-yn-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 130.4
[M+Na]+ 150.08894 138.6
[M-H]- 126.09244 129.0
[M+NH4]+ 145.13354 149.5
[M+K]+ 166.06288 137.3
[M+H-H2O]+ 110.09698 120.4
[M+HCOO]- 172.09792 146.6
[M+CH3COO]- 186.11357 182.0
[M+Na-2H]- 148.07439 136.2
[M]+ 127.09917 124.4
[M]- 127.10027 124.4
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