CID 137945042

2287301-76-0

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(OC)OC)CN
InChI
InChI=1S/C13H26N2O4/c1-11(2,3)19-10(16)15-9-12(8-14)6-13(7-12,17-4)18-5/h6-9,14H2,1-5H3,(H,15,16)
InChIKey
KATQXRGJDUXYOF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)-3,3-dimethoxycyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 169.6
[M+Na]+ 297.178488 172.6
[M-H]- 273.181994 172.1
[M+NH4]+ 292.223093 182.3
[M+K]+ 313.152428 176.3
[M+H-H2O]+ 257.186530 160.4
[M+HCOO]- 319.187471 188.7
[M+CH3COO]- 333.203121 205.1
[M+Na-2H]- 295.163936 173.2
[M]+ 274.18872142 180.9
[M]- 274.18981858 180.9
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.