CID 71695400

Tert-butyl n-[(4-methylpiperazin-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H23N3O2
SMILES
CC(C)(C)OC(=O)NCC1CN(CCN1)C
InChI
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)13-7-9-8-14(4)6-5-12-9/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKey
ZXJIRAYROLCSLH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-methylpiperazin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.17903 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.186306 157.8
[M+Na]+ 252.168248 161.6
[M-H]- 228.171754 156.4
[M+NH4]+ 247.212853 172.4
[M+K]+ 268.142188 160.1
[M+H-H2O]+ 212.176290 150.7
[M+HCOO]- 274.177231 172.4
[M+CH3COO]- 288.192881 189.7
[M+Na-2H]- 250.153696 160.7
[M]+ 229.17848142 153.8
[M]- 229.17957858 153.8
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.