CID 84647667

2-methyl-2,5-diazabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C6H12N2
SMILES
CN1CCNC2C1C2
InChI
InChI=1S/C6H12N2/c1-8-3-2-7-5-4-6(5)8/h5-7H,2-4H2,1H3
InChIKey
DPMXELPCGFHYCP-UHFFFAOYSA-N
Compound name
2-methyl-2,5-diazabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

112.10005 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 130.8
[M+Na]+ 135.08927 140.1
[M-H]- 111.09277 131.9
[M+NH4]+ 130.13387 146.6
[M+K]+ 151.06321 136.9
[M+H-H2O]+ 95.097310 123.9
[M+HCOO]- 157.09825 148.1
[M+CH3COO]- 171.11390 142.9
[M+Na-2H]- 133.07472 137.7
[M]+ 112.09950 128.7
[M]- 112.10060 128.7
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