CID 75

3-aminopropanal

Structural Information

Molecular Formula
C3H7NO
SMILES
C(CN)C=O
InChI
InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2
InChIKey
PCXDJQZLDDHMGX-UHFFFAOYSA-N
Compound name
3-aminopropanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

73
References

4439
Patents

73.052765 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 110.9
[M+Na]+ 96.041983 118.8
[M-H]- 72.045489 111.2
[M+NH4]+ 91.086588 134.8
[M+K]+ 112.01592 118.9
[M+H-H2O]+ 56.050025 106.8
[M+HCOO]- 118.05097 136.5
[M+CH3COO]- 132.06662 163.1
[M+Na-2H]- 94.027431 118.8
[M]+ 73.052216 110.0
[M]- 73.053314 110.0
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