CID 145869412

Tert-butyl 4-(isocyanatomethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN=C=O
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-4-10(5-7-14)8-13-9-15/h10H,4-8H2,1-3H3
InChIKey
PKCVQZTVLRIUMP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(isocyanatomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 156.1
[M+Na]+ 263.13662 160.9
[M-H]- 239.14012 158.9
[M+NH4]+ 258.18122 172.9
[M+K]+ 279.11056 160.4
[M+H-H2O]+ 223.14466 149.3
[M+HCOO]- 285.14560 175.4
[M+CH3COO]- 299.16125 194.7
[M+Na-2H]- 261.12207 159.7
[M]+ 240.14685 155.8
[M]- 240.14795 155.8
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.