CID 156620437

743372-50-1

Structural Information

Molecular Formula
C8H17N3O
SMILES
CC(C)CN1CCN(CC1)N=O
InChI
InChI=1S/C8H17N3O/c1-8(2)7-10-3-5-11(9-12)6-4-10/h8H,3-7H2,1-2H3
InChIKey
WHNXFFIKKJESQD-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 139.4
[M+Na]+ 194.126378 144.6
[M-H]- 170.129884 140.8
[M+NH4]+ 189.170983 157.3
[M+K]+ 210.100318 144.7
[M+H-H2O]+ 154.134420 131.5
[M+HCOO]- 216.135361 159.2
[M+CH3COO]- 230.151011 185.4
[M+Na-2H]- 192.111826 144.0
[M]+ 171.13661142 137.3
[M]- 171.13770858 137.3
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