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]+ 113.107326 130.8
[M+Na]+ 135.089268 140.1
[M-H]- 111.092774 131.9
[M+NH4]+ 130.133873 146.6
[M+K]+ 151.063208 136.9
[M+H-H2O]+ 95.097310 123.9
[M+HCOO]- 157.098251 148.1
[M+CH3COO]- 171.113901 142.9
[M+Na-2H]- 133.074716 137.7
[M]+ 112.09950142 128.7
[M]- 112.10059858 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