CID 7994

2-(isopropylamino)ethanol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(C)NCCO
InChI
InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3
InChIKey
RILLZYSZSDGYGV-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

4704
Patents

103.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.8
[M+Na]+ 126.08894 128.8
[M-H]- 102.09244 121.8
[M+NH4]+ 121.13354 145.0
[M+K]+ 142.06288 128.8
[M+H-H2O]+ 86.096980 118.3
[M+HCOO]- 148.09792 145.6
[M+CH3COO]- 162.11357 169.1
[M+Na-2H]- 124.07439 128.7
[M]+ 103.09917 121.7
[M]- 103.10027 121.7
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