CID 57828103

42563-39-3

Structural Information

Molecular Formula
C4H7NO
SMILES
[C-]#[N+]CCCO
InChI
InChI=1S/C4H7NO/c1-5-3-2-4-6/h6H,2-4H2
InChIKey
FRBLEILVKYSMLM-UHFFFAOYSA-N
Compound name
3-isocyanopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

85.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 114.7
[M+Na]+ 108.04198 126.4
[M+NH4]+ 103.08659 120.2
[M+K]+ 124.01592 119.6
[M-H]- 84.045489 108.4
[M+Na-2H]- 106.02743 117.0
[M]+ 85.052216 113.6
[M]- 85.053314 113.6
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