CID 165859645

2649076-75-3

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN=C=O
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-8(6-12)4-11-7-13/h8H,4-6H2,1-3H3
InChIKey
RLIGQPPTMMQUGH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(isocyanatomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.4
[M+Na]+ 235.10531 153.5
[M-H]- 211.10881 151.7
[M+NH4]+ 230.14991 159.9
[M+K]+ 251.07925 156.7
[M+H-H2O]+ 195.11335 136.7
[M+HCOO]- 257.11429 169.0
[M+CH3COO]- 271.12994 193.3
[M+Na-2H]- 233.09076 152.5
[M]+ 212.11554 159.4
[M]- 212.11664 159.4
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

No patent data available for this compound.