CID 522583

1-aminoethanol

Structural Information

Molecular Formula
C2H7NO
SMILES
CC(N)O
InChI
InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3
InChIKey
UJPKMTDFFUTLGM-UHFFFAOYSA-N
Compound name
1-aminoethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

173
References

45600
Patents

61.052765 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 62.060041 109.3
[M+Na]+ 84.041983 116.7
[M-H]- 60.045489 108.4
[M+NH4]+ 79.086588 133.0
[M+K]+ 100.01592 117.1
[M+H-H2O]+ 44.050025 105.5
[M+HCOO]- 106.05097 132.5
[M+CH3COO]- 120.06662 159.2
[M+Na-2H]- 82.027431 115.8
[M]+ 61.052216 106.1
[M]- 61.053314 106.1
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