CID 15326949

197569-11-2

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(=CC#N)CC1
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h4H,5-6,8-9H2,1-3H3
InChIKey
BXCZVPSAYHBSQZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

222.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.4
[M+Na]+ 245.126048 159.4
[M-H]- 221.129554 153.7
[M+NH4]+ 240.170653 167.8
[M+K]+ 261.099988 157.3
[M+H-H2O]+ 205.134090 139.7
[M+HCOO]- 267.135031 165.8
[M+CH3COO]- 281.150681 198.9
[M+Na-2H]- 243.111496 154.9
[M]+ 222.13628142 145.2
[M]- 222.13737858 145.2
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