CID 44828659

1-tert-butyloxycarbonyl-3-(n-hydroxycarbamimidoyl)piperidine

Structural Information

Molecular Formula
C11H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)/C(=N/O)/N
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-6-4-5-8(7-14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKey
KCVBHZWEPHUWBW-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.1583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16558 157.6
[M+Na]+ 266.14752 160.9
[M-H]- 242.15102 158.5
[M+NH4]+ 261.19212 172.8
[M+K]+ 282.12146 160.6
[M+H-H2O]+ 226.15556 150.8
[M+HCOO]- 288.15650 174.8
[M+CH3COO]- 302.17215 195.6
[M+Na-2H]- 264.13297 159.3
[M]+ 243.15775 153.2
[M]- 243.15885 153.2
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