CID 11029795

(1s,4s)-2-methyl-2,5-diazabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C6H12N2
SMILES
CN1C[C@@H]2C[C@H]1CN2
InChI
InChI=1S/C6H12N2/c1-8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
YFDRYBUJCGOYCQ-WDSKDSINSA-N
Compound name
(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1483
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 123.3
[M+Na]+ 135.08927 132.3
[M+NH4]+ 130.13387 132.5
[M+K]+ 151.06321 130.4
[M-H]- 111.09277 122.5
[M+Na-2H]- 133.07472 124.9
[M]+ 112.09950 124.0
[M]- 112.10060 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe