CID 12983660

87530-14-1

Structural Information

Molecular Formula
C12H27N3O2
SMILES
CC(C)(C)OC(=O)NCCCN(C)CCCN
InChI
InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)14-8-6-10-15(4)9-5-7-13/h5-10,13H2,1-4H3,(H,14,16)
InChIKey
FXXUDMOOSAJDHQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[3-aminopropyl(methyl)amino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

245.21033 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.21761 163.4
[M+Na]+ 268.19955 166.4
[M-H]- 244.20305 163.9
[M+NH4]+ 263.24415 180.6
[M+K]+ 284.17349 166.9
[M+H-H2O]+ 228.20759 156.8
[M+HCOO]- 290.20853 186.3
[M+CH3COO]- 304.22418 205.2
[M+Na-2H]- 266.18500 165.6
[M]+ 245.20978 165.5
[M]- 245.21088 165.5
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