CID 150783

Isopropyl isocyanide

Structural Information

Molecular Formula
C4H7N
SMILES
CC(C)[N+]#[C-]
InChI
InChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3
InChIKey
MJZUMMKYWBNKIP-UHFFFAOYSA-N
Compound name
2-isocyanopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

550
Patents

69.057846 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 115.3
[M+Na]+ 92.047064 124.8
[M-H]- 68.050570 115.4
[M+NH4]+ 87.091669 136.8
[M+K]+ 108.02100 120.3
[M+H-H2O]+ 52.055106 109.8
[M+HCOO]- 114.05605 134.6
[M+CH3COO]- 128.07170 168.9
[M+Na-2H]- 90.032512 122.7
[M]+ 69.057297 107.2
[M]- 69.058395 107.2
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