CID 44996

Nonylguanidine

Structural Information

Molecular Formula
C10H23N3
SMILES
CCCCCCCCCN=C(N)N
InChI
InChI=1S/C10H23N3/c1-2-3-4-5-6-7-8-9-13-10(11)12/h2-9H2,1H3,(H4,11,12,13)
InChIKey
QKVSKRWNJXMUAQ-UHFFFAOYSA-N
Compound name
2-nonylguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

126
Patents

185.1892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.19648 147.9
[M+Na]+ 208.17842 151.4
[M-H]- 184.18192 147.7
[M+NH4]+ 203.22302 167.0
[M+K]+ 224.15236 150.1
[M+H-H2O]+ 168.18646 141.1
[M+HCOO]- 230.18740 172.8
[M+CH3COO]- 244.20305 194.6
[M+Na-2H]- 206.16387 150.5
[M]+ 185.18865 146.6
[M]- 185.18975 146.6
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.